BindingDB logo
myBDB logout

BDBM50231005 CHEMBL4078435

SMILES: CC(C)C[C@H](N1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(C)(C)C1=O)c1nc2ccc(cc2n1C)C(O)=O

InChI Key: InChIKey=VUAUMWFFXWDXQF-SANMLTNESA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50231005   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Bile acid receptor


(Homo sapiens (Human))		BDBM50231005
PNG
(CHEMBL4078435)
Show SMILES CC(C)C[C@H](N1C(=O)N(c2ccc(Oc3ccccc3)cc2)C(C)(C)C1=O)c1nc2ccc(cc2n1C)C(O)=O |r|
Show InChI InChI=1S/C31H32N4O5/c1-19(2)17-26(27-32-24-16-11-20(28(36)37)18-25(24)33(27)5)34-29(38)31(3,4)35(30(34)39)21-12-14-23(15-13-21)40-22-9-7-6-8-10-22/h6-16,18-19,26H,17H2,1-5H3,(H,36,37)/t26-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
n/an/a 1.05E+5n/an/an/an/an/an/a



Hiroshima International University

Curated by ChEMBL


Assay Description
Inhibition of GW4064-induced fluorecein-labeled SRC2-2 coactivator recruitment in GST-tagged FXR LBD (unknown origin) by Lanthascreen TR-FRET assay

Bioorg Med Chem 25: 1787-1794 (2017)


BindingDB Entry DOI: 10.7270/Q2R78HGC
More data for this
Ligand-Target Pair